5-chloro-1-[(2-chlorophenyl)methyl]-N-(4-fluoro-2-methylphenyl)-3-methylpyrazole-4-carboxamide

C19H16Cl2FN3O — CID 29220669

IUPAC5-chloro-1-[(2-chlorophenyl)methyl]-N-(4-fluoro-2-methylphenyl)-3-methylpyrazole-4-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1c(C)nn(Cc2ccccc2Cl)c1Cl
InChIInChI=1S/C19H16Cl2FN3O/c1-11-9-14(22)7-8-16(11)23-19(26)17-12(2)24-25(18(17)21)10-13-5-3-4-6-15(13)20/h3-9H,10H2,1-2H3,(H,23,26)
InChIKeyKIBOEDZSUMTIKS-UHFFFAOYSA-N
MW392.26 g/mol
LogP5.25
Rot. Bonds4

About 5-chloro-1-[(2-chlorophenyl)methyl]-N-(4-fluoro-2-methylphenyl)-3-methylpyrazole-4-carboxamide

5-chloro-1-[(2-chlorophenyl)methyl]-N-(4-fluoro-2-methylphenyl)-3-methylpyrazole-4-carboxamide (PubChem CID 29220669) has the molecular formula C19H16Cl2FN3O and a molecular weight of 392.26 g/mol. Its IUPAC name is 5-chloro-1-[(2-chlorophenyl)methyl]-N-(4-fluoro-2-methylphenyl)-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-1-[(2-chlorophenyl)methyl]-N-(4-fluoro-2-methylphenyl)-3-methylpyrazole-4-carboxamide
PubChem CID29220669
Molecular FormulaC19H16Cl2FN3O
Molecular Weight392.26 g/mol
Exact Mass391.07
IUPAC Name5-chloro-1-[(2-chlorophenyl)methyl]-N-(4-fluoro-2-methylphenyl)-3-methylpyrazole-4-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1c(C)nn(Cc2ccccc2Cl)c1Cl
InChIInChI=1S/C19H16Cl2FN3O/c1-11-9-14(22)7-8-16(11)23-19(26)17-12(2)24-25(18(17)21)10-13-5-3-4-6-15(13)20/h3-9H,10H2,1-2H3,(H,23,26)
InChIKeyKIBOEDZSUMTIKS-UHFFFAOYSA-N
XLogP5.25
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.26
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-1-[(2-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)-3-methylpyrazole-4-carboxamide
CID 29200021
5-chloro-1-[(2-chlorophenyl)methyl]-N-[2-[(dimethylamino)methyl]phenyl]-3-methylpyrazole-4-carboxamide
CID 38438701
1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-(2-methylphenyl)pyrazole-4-carboxamide
CID 8713967
5-chloro-1-[(2-chlorophenyl)methyl]-N-[4-(dimethylamino)-3,5-difluorophenyl]-3-methylpyrazole-4-carboxamide
CID 55861905
5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide
CID 55676715
5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N'-phenylpyrazole-4-carbohydrazide
CID 78774668
1-[(2-chlorophenyl)methyl]-N-(2-ethylphenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 8839325
5-chloro-1-[(2-chlorophenyl)methyl]-N-(6-methoxy-3-pyridinyl)-3-methylpyrazole-4-carboxamide
CID 35806096
5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrazole-4-carboxamide
CID 35595678
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxylate
CID 4853229
1-benzyl-5-chloro-N-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 8893300
[2-(3,5-difluoroanilino)-2-oxoethyl] 5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxylate
CID 36594051

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(2-chlorophenyl)methyl]-N-(4-fluoro-2-methylphenyl)-3-methylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-1-[(2-chlorophenyl)methyl]-N-(4-fluoro-2-methylphenyl)-3-methylpyrazole-4-carboxamide (CID 29220669) is 5-chloro-1-[(2-chlorophenyl)methyl]-N-(4-fluoro-2-methylphenyl)-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-1-[(2-chlorophenyl)methyl]-N-(4-fluoro-2-methylphenyl)-3-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-1-[(2-chlorophenyl)methyl]-N-(4-fluoro-2-methylphenyl)-3-methylpyrazole-4-carboxamide is Cc1cc(F)ccc1NC(=O)c1c(C)nn(Cc2ccccc2Cl)c1Cl.
What is the InChIKey of 5-chloro-1-[(2-chlorophenyl)methyl]-N-(4-fluoro-2-methylphenyl)-3-methylpyrazole-4-carboxamide?
The InChIKey is KIBOEDZSUMTIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2FN3O/c1-11-9-14(22)7-8-16(11)23-19(26)17-12(2)24-25(18(17)21)10-13-5-3-4-6-15(13)20/h3-9H,10H2,1-2H3,(H,23,26).
What are the key properties of 5-chloro-1-[(2-chlorophenyl)methyl]-N-(4-fluoro-2-methylphenyl)-3-methylpyrazole-4-carboxamide?
5-chloro-1-[(2-chlorophenyl)methyl]-N-(4-fluoro-2-methylphenyl)-3-methylpyrazole-4-carboxamide has a molecular weight of 392.26 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(2-chlorophenyl)methyl]-N-(4-fluoro-2-methylphenyl)-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 29220669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).